Trifluoroacetic acid → 2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-{3-[4-(3-cyano-pyrazin-2-yl)-phenoxy]-propyl}-thiazole-4-carboxylic acid
Reaction equation
[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH:55][c:56]1[cH:57][cH:58][c:59](-[c:62]2[c:63]([C:68]#[N:69])[n:64][cH:65][cH:66][n:67]2)[cH:60][cH:61]1.[s:8]1[c:9]([NH:17][C:18](=[O:19])[c:20]2[cH:21][cH:22][cH:23][c:24]3[c:29]2[CH2:28][N:27]([c:30]2[s:31][c:32]([CH2:38][CH2:39][CH2:40][O:41][c:42]4[cH:43][cH:44][c:45](-[c:46]5[c:47]([C:48]#[N:49])[cH:50][s:51][cH:52]5)[cH:53][cH:54]4)[c:33]([C:35](=[O:36])[OH:37])[n:34]2)[CH2:26][CH2:25]3)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([NH:17][C:18](=[O:19])[c:20]2[cH:21][cH:22][cH:23][c:24]3[c:29]2[CH2:28][N:27]([c:30]2[s:31][c:32]([CH2:38][CH2:39][CH2:40][O:55][c:56]4[cH:57][cH:58][c:59](-[c:62]5[c:63]([C:68]#[N:69])[n:64][cH:65][cH:66][n:67]5)[cH:60][cH:61]4)[c:33]([C:35](=[O:36])[OH:37])[n:34]2)[CH2:26][CH2:25]3)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-5612199f7cb54db7a1a2c52aaf3d73f6
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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